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Issue Date	Title	Author(s)
2014	Amide Functionalized Microporous Organic Polymer (Am-MOP) for Selective CO2 Sorption and Catalysis	Suresh, Venkata M.; Bonakala, Satyanarayana; Atreya, Hanudatta S.; Balasubramanian, Sundaram; Maji, Tapas Kumar
2014	Flexible and Rigid Amine-Functionalized Microporous Frameworks Based on Different Secondary Building Units: Supramolecular Isomerism, Selective CO2 Capture, and Catalysis	Haldar, Ritesh; Reddy, Sandeep K.; Suresh, Venkata M.; Mohapatra, Sudip; Balasubramanian, Sundaram; Maji, Tapas Kumar
2014	Synthesis, Characterization, and Modeling of a Functional Conjugated Microporous Polymer: CO2 Storage and Light Harvesting	Suresh, Venkata M.; Bonakala, Satyanarayana; Roy, Syamantak; Balasubramanian, Sundaram; Maji, Tapas Kumar
2014	Two 3D metal-organic frameworks of Cd(II): modulation of structures and porous properties based on linker functionalities	Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar
2014	Quantitative Prediction of Physical Properties of Imidazolium Based Room Temperature Ionic Liquids through Determination of Condensed Phase Site Charges: A Refined Force Field	Mondal, Anirban; Balasubramanian, Sundaram
2014	Supramolecular Polymerization of Benzene-1,3,5-tricarboxamide: A Molecular Dynamics Simulation Study	Bejagam, Karteek K.; Fiorin, Giacomo; Klein, Michael L.; Balasubramanian, Sundaram
2014	Carbonic acid: molecule, crystal and aqueous solution	Reddy, Sandeep K.; Balasubramanian, Sundaram
2014	Intermolecular structure in tri-n-butyl phosphate/n-octane mixtures: a molecular dynamics simulation study	Mondal, Anirban; Balasubramanian, Sundaram
2014	Charge-transfer complexation between naphthalene diimides and aromatic solvents	Kulkarni, Chidambar; Periyasamy, Ganga; Balasubramanian, Sundaram; George, Subi Jacob
2014	A Molecular Dynamics Study of Collective Transport Properties of Imidazolium-Based Room-Temperature Ionic Liquids	Mondal, Anirban; Balasubramanian, Sundaram
2014	Effect of cation symmetry on the organization of ionic liquids near a charged mica surface	Payal, Rajdeep Singh; Balasubramanian, Sundaram
2014	Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study	Payal, Rajdeep Singh; Balasubramanian, Sundaram
2014	Elucidating the interaction of H2O2 with polar amino acids - Quantum chemical calculations	Karmakar, Tarak; Balasubramanian, Sundaram
2016	Product Release Pathways in Human and Plasmodium falciparum Phosphoribosyltransferase	Karmakar, Tarak; Roy, Sourav; Balararn, Hemalatha; Prakash, Meher K.; Balasubramanian, Sundaram
2016	Structural and dynamical correlations in PfHGXPRT oligomers: A molecular dynamics simulation study	Karmakar, Tarak; Roy, Sourav; Balaram, Hemalatha; Balasubramanian, Sundaram
2016	Dynamic Entangled Porous Framework for Hydrocarbon (C2-C3) Storage, CO2 Capture, and Separation	Sikdar, Nivedita; Bonakala, Satyanarayana; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar
2016	Understanding SO2 Capture by Ionic Liquids	Mondal, Anirban; Balasubramanian, Sundaram
2016	Thermal phase behavior and ion hopping in a 1,2,4-triazolium perfluorobutanesulfonate protic organic ionic plastic crystal	Mondal, Anirban; Sunda, Anurag Prakash; Balasubramanian, Sundaram
2016	Host-Guest [2+2] Cycloaddition Reaction: Postsynthetic Modulation of CO2 Selectivity and Magnetic Properties in a Bimodal Metal-Organic Framework	Hazra, Arpan; Bonakala, Satyanarayana; Bejagam, Karteek K.; Balasubramanian, Sundaram; Maji, Tapas Kumar
2016	Structure-Property Relationships in Amorphous Microporous Polymers	Bonakala, Satyanarayana; Balasubramanian, Sundaram